SCHEMBL1240529

SCHEMBL1240529

Oc1c(C(c2cccs2)N2CCOCC2)ccc2cccnc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 7/20 0.76
ALDH1A1 P00352 6/20 0.76
KDM4E B2RXH2 6/20 0.76
MAPT P10636 5/20 0.76
NPSR1 Q6W5P4 4/20 0.76
LMNA P02545 4/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
HPGD P15428 2/20 0.76
POLB P06746 1/20 0.76
TP53 P04637 5/20 0.71
ALOX15 P16050 5/20 0.71
HSD17B10 Q99714 4/20 0.71
KMT2A Q03164 4/20 0.71
MAPK1 P28482 3/20 0.71
ESR2 Q92731 3/20 0.71
MEN1 O00255 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
L3MBTL1 Q9Y468 3/20 0.68
PPP1CA P62136 1/20 0.68
ICMT O60725 2/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12436071 0.89 ALDH1A1 (0.76) ALOX12ALDH1A1KDM4EMAPTNPSR1
SCHEMBL1700894 0.86 ALOX12 (1.00) ALOX12ALDH1A1KDM4EMAPTNPSR1
SCHEMBL12905976 0.84 ALOX12 (0.56) ALOX12ALDH1A1KDM4EMAPTNPSR1
SCHEMBL25078986 0.84 ALOX12 (0.77) ALOX12ALDH1A1KDM4EMAPTNPSR1
SCHEMBL30253589 0.84 ALOX12 (0.77) ALOX12ALDH1A1KDM4EMAPTNPSR1
SCHEMBL15781876 0.83 ALDH1A1 (1.00) ALOX12ALDH1A1KDM4EMAPTNPSR1
SCHEMBL1239504 0.83 BRAF (0.75) ALOX12ALDH1A1KDM4EMAPTNPSR1
SCHEMBL11955274 0.82 ALOX12 (0.77) ALOX12ALDH1A1KDM4EMAPTNPSR1
SCHEMBL30253905 0.82 ALOX12 (0.77) ALOX12ALDH1A1KDM4EMAPTNPSR1
SCHEMBL1240796 0.81 KDM4E (0.57) ALOX12ALDH1A1KDM4EMAPTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
EP-2467361-A1 NOVEL QUINOLINE-HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-06-27 EP disclosed
WO-2011020886-A1 NOVEL QUINOLINE-HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-02-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists HAMP, SLC40A1, FTH1 ALOX12 251/4885ALDH1A1 2250/4885KDM4E 3190/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.